N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide

C15H27ClN2O2 — CID 63665688

IUPACN-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-4-5-8-17-13(19)12-6-9-18(10-7-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyFBMXBTOZINAGSS-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.41
Rot. Bonds6

About N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 63665688) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID63665688
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC NameN-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-4-5-8-17-13(19)12-6-9-18(10-7-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyFBMXBTOZINAGSS-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
CID 62835323
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
CID 108561890
ethyl 1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 63679178
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 63665688) is N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)C(C)(C)CCl)CC1.
What is the InChIKey of N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is FBMXBTOZINAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O2/c1-4-5-8-17-13(19)12-6-9-18(10-7-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 302.85 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 63665688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).